TJLLIN0138
 OpenBabel09292510412D

 48 48  0  0  1  0  0  0  0  0999 V2000
  407.9600  202.9700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  436.8700  203.7200    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  415.2700  216.0800    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  429.8800  216.0800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  333.9100  223.0700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  319.3000  225.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  393.6700  229.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  437.1900  229.3000    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  362.1800  231.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  343.0500  234.0300    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  385.9300  241.4400    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  391.0900  254.9800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  367.9800  256.0600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  346.0600  263.0400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  379.7000  264.1200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  341.2200  276.5900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  326.6000  279.1700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  307.5800  295.6100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  303.1800  307.3200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  361.4300  310.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  368.4100  320.5400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  343.8000  323.0100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  331.3300  324.8400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  306.5100  328.6000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  400.5400  328.6000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  387.7600  329.6800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  314.8900  338.4900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  407.9600  338.8100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  402.8000  350.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  392.4800  203.2900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  306.8300  214.1500    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  385.3900  215.9700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  366.5800  217.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  409.7900  228.5500    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  313.8200  238.9700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  370.7800  241.7700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  333.5900  251.4400    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  359.9200  260.4700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  321.4500  292.7100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  365.4000  298.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  345.3000  311.3000    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  310.3800  317.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  383.0300  319.0400    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  326.3900  336.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  382.0600  340.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  389.2600  350.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  411.9400  359.8800    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  418.1400  192.7900    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  1 30  2  0  0  0  0
  1 48  1  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  1  0  0  0
  3 34  1  0  0  0  0
  3  4  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6 31  1  0  0  0  0
  6 35  2  0  0  0  0
  7 32  2  0  0  0  0
  7 34  1  0  0  0  0
  9 10  1  0  0  0  0
  9 33  2  0  0  0  0
  9 36  1  0  0  0  0
 10  5  1  6  0  0  0
 10 37  1  0  0  0  0
 11 12  1  0  0  0  0
 11 36  1  0  0  0  0
 11  7  1  1  0  0  0
 12 15  1  0  0  0  0
 13 15  1  0  0  0  0
 13 36  1  0  0  0  0
 14 16  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  2  0  0  0  0
 16 17  1  0  0  0  0
 17 39  1  0  0  0  0
 18 19  1  0  0  0  0
 18 39  1  0  0  0  0
 19 42  1  0  0  0  0
 20 21  1  0  0  0  0
 20 40  2  0  0  0  0
 20 41  1  0  0  0  0
 21 43  1  0  0  0  0
 22 23  1  0  0  0  0
 22 41  1  0  0  0  0
 23 44  1  0  0  0  0
 24 27  1  0  0  0  0
 24 42  1  0  0  0  0
 25 26  1  0  0  0  0
 25 28  1  0  0  0  0
 26 43  1  0  0  0  0
 26 45  2  0  0  0  0
 27 44  1  0  0  0  0
 28 29  1  0  0  0  0
 29 46  2  0  0  0  0
 29 47  1  0  0  0  0
M  END
>  <Formula>
C29N5O14

$$$$
TJLLIN0138
 OpenBabel09292510412D

  2  1  0  0  0  0  0  0  0  0999 V2000
  398.3700  335.2500    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  412.2800  331.5200    0.0000 S   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  1  0  0  0  0
M  END
>  <Formula>
CS

$$$$
